CID 5309260

902154-81-8

Structural Information

Molecular Formula
C24H25N5O3
SMILES
CC1=CC2=C(C=C1)OC(=O)C3=C2N(N=C3)CC(=O)NC4=CC=CC=C4N5CCN(CC5)C
InChI
InChI=1S/C24H25N5O3/c1-16-7-8-21-17(13-16)23-18(24(31)32-21)14-25-29(23)15-22(30)26-19-5-3-4-6-20(19)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,30)
InChIKey
MFMOPHUIDZZWJE-UHFFFAOYSA-N
Compound name
2-(8-methyl-4-oxochromeno[4,3-c]pyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

431.19574 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20302 206.7
[M+Na]+ 454.18496 214.8
[M-H]- 430.18846 213.8
[M+NH4]+ 449.22956 212.5
[M+K]+ 470.15890 208.7
[M+H-H2O]+ 414.19300 194.0
[M+HCOO]- 476.19394 220.2
[M+CH3COO]- 490.20959 214.3
[M+Na-2H]- 452.17041 207.7
[M]+ 431.19519 208.0
[M]- 431.19629 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.